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Spin separation in the regular Hamiltonian approach to solutions of the Dirac equation

✍ Scribed by A.J. Sadlej; J.G. Snijders

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
288 KB
Volume
229
Category
Article
ISSN
0009-2614

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✦ Synopsis

It is shown how by combining the ideas of the direct perturbation theory approach to the solution of the Dirac equation and the regular expansion as used in the Chang-PClissier-Durand

Hamiltonian one can derive a spin-free approximation to the Dirac equation that resembles a similar equation recently derived by Dyall. However, unlike that equation, the present approach is entirely free of singular operators even in the case of a potential containing an attractive Coulomb singularity such as encountered in atomic and molecular Dirac-Fock theory.

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